6-azanylidene-5-[2-[4-[(3-fluorophenyl)carbonylamino]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: 6-azanylidene-5-[2-[4-[(3-fluorophenyl)carbonylamino]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: 5-[2-[4-[(3-fluorobenzoyl)amino]-2-sulfo-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonic acid CAS Name: 5-[[4-[[(3-fluorophenyl)-oxomethyl]amino]-2-sulfophenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonic acid IUPAC Name: 5-[2-[4-[(3-fluorobenzoyl)amino]-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonic acid Traditional Name: 5-[N'-[4-[(3-fluorobenzoyl)amino]-2-sulfo-phenyl]hydrazino]-6-imino-4-keto-naphthalene-2-sulfonic acid Formula: C23H17FN4O8S2 MolecularWeight: 560.531483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C(=O)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)F)C(=O)NC2=CC(=C(C=C2)NNC3=C4C(=CC(=CC4=O)S(=O)(=O)O)C=CC3=N)S(=O)(=O)O

InChI

InChI=1S/C23H17FN4O8S2/c24-14-3-1-2-13(8-14)23(30)26-15-5-7-18(20(10-15)38(34,35)36)27-28-22-17(25)6-4-12-9-16(37(31,32)33)11-19(29)21(12)22/h1-11,25,27-28H,(H,26,30)(H,31,32,33)(H,34,35,36)